SCHEMBL22655136

SCHEMBL22655136

O=C(O)N1C[C@@H](F)C[C@H]1CNc1ccc(Cl)nn1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.37
▸ MAPT P10636 2/20 0.35
▸ HCRTR1 O43613 4/20 0.34
▸ HCRTR2 O43614 4/20 0.34
▸ CFD P00746 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ ACHE P22303 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22654944 1.00 DPP4 (0.37) DPP4MAPTHCRTR1HCRTR2CFD
SCHEMBL22670584 0.84 LMNA (0.36) DPP4MAPTPOLBLMNAHTT
SCHEMBL22671985 0.84 LMNA (0.36) DPP4MAPTPOLBLMNAHTT
SCHEMBL29565667 0.84 LMNA (0.36) DPP4MAPTPOLBLMNAHTT
SCHEMBL29565864 0.84 LMNA (0.36) DPP4MAPTPOLBLMNAHTT
SCHEMBL23523581 0.73 FAAH (0.37) MAPTPOLBLMNAHTTALDH1A1
SCHEMBL23523585 0.73 FAAH (0.37) MAPTPOLBLMNAHTTALDH1A1
SCHEMBL23523583 0.73 FAAH (0.37) MAPTPOLBLMNAHTTALDH1A1
SCHEMBL20956856 0.68 HDAC1 (0.40) DPP4CFD
SCHEMBL20956830 0.68 HDAC1 (0.40) DPP4CFD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254653-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2022-02-22 — — US disclosed
US-11208399-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2021-12-28 — — US disclosed
US-20200361898-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS PHARMA AG (CH) 2020-11-19 — — US disclosed
US-20200361899-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS PHARMA AG (CH) 2020-11-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200361898-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 DPP4 326/4885MAPT 913/4885HCRTR1 370/4885
US-11254653-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 DPP4 326/4885MAPT 913/4885HCRTR1 370/4885
US-20200361899-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 DPP4 326/4885MAPT 913/4885HCRTR1 370/4885
US-11208399-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 DPP4 326/4885MAPT 913/4885HCRTR1 370/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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